chempirical

Solvent yellow 98

C36H45NO2SCAS 12671-74-8555.82 g/mol

Open in Covalent MOL file
NOSO

Properties

Molecular formula
C36H45NO2S
Molar mass
555.82 g/mol
Exact mass
555.3171 Da
logP
10.58Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
17

Identifiers

CAS number
12671-74-8
SMILES
CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34
InChIKey
YDQLECBCTASDOZ-UHFFFAOYSA-N
InChI
InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-
  • Benzo[kl]thioxanthene-3,4-dicarboximide, N-octadecyl-
  • 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
  • C.I. Solvent yellow 98
  • Fluorescent yellow 3G
  • Benzothioxanthene-3,4-dicarboxylic acid-N-stearylimide
  • C.I. 56238
  • Hostasol yellow 3G
  • Hostasol yellow
  • Day-glo pocono yellow
  • Plast yellow DY 436
  • Dymic MBR-D 70
  • Yellow 8010
  • D 098

Work with Solvent yellow 98

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Solvent orange 6316294-75-048 % similar N-Butyl-1,2-benzisothiazolin-3-one4299-07-445 % similar 2-Methyl-1-octyl-1H-indole42951-39-335 % similar 2-N-Octyl-4-isothiazolin-3-one26530-20-134 % similar Dibenzothiophene132-65-033 % similar Disperse blue 6012217-80-033 % similar Benzo[B]naphtho[1,2-D]thiophene205-43-633 % similar Thioxanthone492-22-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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